(1S,2R,3S,5S)-3-(2-fluoropropan-2-yl)-5-propan-2-ylcyclopentane-1,2-diol

C11H21FO2 — CID 90365848

IUPAC(1S,2R,3S,5S)-3-(2-fluoropropan-2-yl)-5-propan-2-ylcyclopentane-1,2-diol
SMILESCC(C)[C@@H]1C[C@H](C(C)(C)F)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H21FO2/c1-6(2)7-5-8(11(3,4)12)10(14)9(7)13/h6-10,13-14H,5H2,1-4H3/t7-,8-,9-,10+/m0/s1
InChIKeyCUWRRIUGPCCPND-AATLWQCWSA-N
MW204.28 g/mol
LogP1.75
Rot. Bonds2

About (1S,2R,3S,5S)-3-(2-fluoropropan-2-yl)-5-propan-2-ylcyclopentane-1,2-diol

(1S,2R,3S,5S)-3-(2-fluoropropan-2-yl)-5-propan-2-ylcyclopentane-1,2-diol (PubChem CID 90365848) has the molecular formula C11H21FO2 and a molecular weight of 204.28 g/mol. Its IUPAC name is (1S,2R,3S,5S)-3-(2-fluoropropan-2-yl)-5-propan-2-ylcyclopentane-1,2-diol.

Molecular Properties

Compound Name(1S,2R,3S,5S)-3-(2-fluoropropan-2-yl)-5-propan-2-ylcyclopentane-1,2-diol
PubChem CID90365848
Molecular FormulaC11H21FO2
Molecular Weight204.28 g/mol
Exact Mass204.15
IUPAC Name(1S,2R,3S,5S)-3-(2-fluoropropan-2-yl)-5-propan-2-ylcyclopentane-1,2-diol
SMILESCC(C)[C@@H]1C[C@H](C(C)(C)F)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H21FO2/c1-6(2)7-5-8(11(3,4)12)10(14)9(7)13/h6-10,13-14H,5H2,1-4H3/t7-,8-,9-,10+/m0/s1
InChIKeyCUWRRIUGPCCPND-AATLWQCWSA-N
XLogP1.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2R,3S,5S)-3-(2-fluoropropan-2-yl)-5-propan-2-ylcyclopentane-1,2-diol with MolForge

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Related Compounds

cis-(1S,2R)-4-propylcyclopentane-1,2-diol
CID 52916274
cis-(1R,2S)-4-hexylcyclopentane-1,2-diol
CID 52916276
Cyclonerodiol B
CID 139591330
Cycloneran-3,7,10,11-tetraol
CID 146682954
(1S,2R,3S,5S)-3-(difluoromethyl)-5-propan-2-ylcyclopentane-1,2-diol
CID 58519635
(1S,2R,3S,5S)-3-(1,1-difluoroethyl)-5-propan-2-ylcyclopentane-1,2-diol
CID 90365851
(1S,2R,3S,5R)-3-(1,1-difluoroethyl)-5-methylcyclopentane-1,2-diol
CID 90368845
(1S,2R,3S,5R)-3-(2-fluoropropan-2-yl)-5-methylcyclopentane-1,2-diol
CID 90369024
4,4-Difluoro-3-methyl-5-propan-2-ylcyclopentane-1,2-diol
CID 118544192
3-Ethyl-2-fluoro-5-propan-2-ylcyclopentan-1-ol
CID 123394681
3-(1,1-Difluoroethyl)-5-ethylcyclopentane-1,2-diol
CID 123656436
3-Fluoro-3-propan-2-ylcyclopentane-1,2-diol
CID 123699960

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,5S)-3-(2-fluoropropan-2-yl)-5-propan-2-ylcyclopentane-1,2-diol?
The IUPAC name of (1S,2R,3S,5S)-3-(2-fluoropropan-2-yl)-5-propan-2-ylcyclopentane-1,2-diol (CID 90365848) is (1S,2R,3S,5S)-3-(2-fluoropropan-2-yl)-5-propan-2-ylcyclopentane-1,2-diol.
What is the SMILES notation for (1S,2R,3S,5S)-3-(2-fluoropropan-2-yl)-5-propan-2-ylcyclopentane-1,2-diol?
The canonical SMILES for (1S,2R,3S,5S)-3-(2-fluoropropan-2-yl)-5-propan-2-ylcyclopentane-1,2-diol is CC(C)[C@@H]1C[C@H](C(C)(C)F)[C@@H](O)[C@H]1O.
What is the InChIKey of (1S,2R,3S,5S)-3-(2-fluoropropan-2-yl)-5-propan-2-ylcyclopentane-1,2-diol?
The InChIKey is CUWRRIUGPCCPND-AATLWQCWSA-N. The full InChI is InChI=1S/C11H21FO2/c1-6(2)7-5-8(11(3,4)12)10(14)9(7)13/h6-10,13-14H,5H2,1-4H3/t7-,8-,9-,10+/m0/s1.
What are the key properties of (1S,2R,3S,5S)-3-(2-fluoropropan-2-yl)-5-propan-2-ylcyclopentane-1,2-diol?
(1S,2R,3S,5S)-3-(2-fluoropropan-2-yl)-5-propan-2-ylcyclopentane-1,2-diol has a molecular weight of 204.28 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,5S)-3-(2-fluoropropan-2-yl)-5-propan-2-ylcyclopentane-1,2-diol is sourced from PubChem (CID 90365848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).